SCHEMBL2895303

SCHEMBL2895303

CC(Oc1nnc(-c2ccncc2)n1C)c1nnn(-c2cccc(C#N)c2)n1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.55
KCNH2 Q12809 2/20 0.47
CHRNB2 P17787 1/20 0.45
CHRNA5 P30532 1/20 0.45
CHRNA4 P43681 1/20 0.45
ALOX12 P18054 1/20 0.35
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2891488 0.88 GRM5 (0.69) GRM5KCNH2KDM4EALDH1A1
SCHEMBL2893141 0.87 GRM5 (0.42) GRM5KCNH2CHRNB2CHRNA5CHRNA4
SCHEMBL2895294 0.86 GRM5 (0.73) GRM5KCNH2ALDH1A1
SCHEMBL2895291 0.86 GRM5 (0.73) GRM5KCNH2ALDH1A1
SCHEMBL2895459 0.86 GRM5 (0.57) GRM5KCNH2ALDH1A1
SCHEMBL2895780 0.86 GRM5 (0.73) GRM5KCNH2ALDH1A1
SCHEMBL2898303 0.81 CHRNB2 (0.45) GRM5CHRNB2CHRNA5CHRNA4ALOX12
SCHEMBL2889526 0.81 CHRNB2 (0.46) GRM5KCNH2CHRNB2CHRNA5CHRNA4
SCHEMBL2889840 0.81 CHRNB2 (0.44) GRM5CHRNB2CHRNA5CHRNA4ALOX12
SCHEMBL1997502 0.78 GRM5 (0.67) GRM5KCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691892-B2 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2010-04-06 US claimed
US-20070197549-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-23 US claimed
US-20060004021-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-01-05 US claimed
EP-1716125-B1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS ASTRAZENECA AB (SE) 2013-06-19 EP disclosed
US-7691892-B2 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2010-04-06 US disclosed
US-20070197549-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-23 US disclosed
EP-1716125-A1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS AstraZeneca AB (SE) 2006-11-02 EP disclosed
US-20060004021-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-01-05 US disclosed
WO-2005080356-A1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS ASTRAZENECA AB (SE) 2005-09-01 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060004021-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists GRM1, GRM3, GRM4 GRM5 10/4885KCNH2 501/4885CHRNB2 384/4885
US-20070197549-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists GRM1, GRM3, GRM4 GRM5 10/4885KCNH2 521/4885CHRNB2 380/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.